N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C21H25N3O3S — CID 112503950

IUPACN-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C21H25N3O3S/c1-3-23(4-2)17(18-10-7-13-28-18)14-22-19(25)11-12-24-20(26)15-8-5-6-9-16(15)21(24)27/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,25)
InChIKeyVHHNDLZHIDPRNL-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.93
Rot. Bonds9

About N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 112503950) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID112503950
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C21H25N3O3S/c1-3-23(4-2)17(18-10-7-13-28-18)14-22-19(25)11-12-24-20(26)15-8-5-6-9-16(15)21(24)27/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,25)
InChIKeyVHHNDLZHIDPRNL-UHFFFAOYSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8504380
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112503947
[(1R)-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504381
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
CID 55660187
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18161890
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 112503957
2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252720
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide
CID 8712890

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 112503950) is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is CCN(CC)C(CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is VHHNDLZHIDPRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-3-23(4-2)17(18-10-7-13-28-18)14-22-19(25)11-12-24-20(26)15-8-5-6-9-16(15)21(24)27/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 399.52 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 112503950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).